U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiV2F9 by Materials Project
Abstract
LiV2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.06 Å) and two longer (2.12 Å) Li–F bond lengths. V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 5–11°. There are a spread of V–F bond distances ranging from 1.77–1.97 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176613
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiV2F9; F-Li-V
- OSTI Identifier:
- 1689028
- DOI:
- https://doi.org/10.17188/1689028
Citation Formats
The Materials Project. Materials Data on LiV2F9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689028.
The Materials Project. Materials Data on LiV2F9 by Materials Project. United States. doi:https://doi.org/10.17188/1689028
The Materials Project. 2020.
"Materials Data on LiV2F9 by Materials Project". United States. doi:https://doi.org/10.17188/1689028. https://www.osti.gov/servlets/purl/1689028. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689028,
title = {Materials Data on LiV2F9 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.06 Å) and two longer (2.12 Å) Li–F bond lengths. V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 5–11°. There are a spread of V–F bond distances ranging from 1.77–1.97 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom.},
doi = {10.17188/1689028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}